CID 126688495

1-(bromomethyl)-3-fluorocyclobutane

Structural Information

Molecular Formula
C5H8BrF
SMILES
C1C(CC1F)CBr
InChI
InChI=1S/C5H8BrF/c6-3-4-1-5(7)2-4/h4-5H,1-3H2
InChIKey
QMBXRHISFBCMGJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-fluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

165.97934 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.98662 118.3
[M+Na]+ 188.96856 129.0
[M-H]- 164.97206 123.6
[M+NH4]+ 184.01316 136.7
[M+K]+ 204.94250 122.1
[M+H-H2O]+ 148.97660 114.6
[M+HCOO]- 210.97754 137.8
[M+CH3COO]- 224.99319 180.5
[M+Na-2H]- 186.95401 126.3
[M]+ 165.97879 141.9
[M]- 165.97989 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe